but-1-ene

• ChemBase ID: 92159
• Molecular Formular: C4H8
• Molecular Mass: 56.10632
• Monoisotopic Mass: 56.06260026
• SMILES: C=CCC
• Canonical SMILES: CCC=C
• InChI: InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3
• InChIKey: VXNZUUAINFGPBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: but-1-ene
• IUPAC Traditional name: 1-butene
• Synonyms: ethylethylene; 1-butylene; α-butylene; but-1-ene; 1-Butene; 1-Butene; But-1-ene; 1-丁烯

Database IDs

• CAS Number: 106-98-9
• EC Number: 203-449-2
• MDL Number: MFCD00009383
• Beilstein Number: 1098262
• PubChem SID: 24851449; 24857755; 162078857
• PubChem CID: 7844
• CHEBI ID: 48362
• CHEMBL: 117210
• Chemspider ID: 7556
• Unique Ingredient Identifier: LY001N554L
• Wikipedia Title: 1-Butene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9380126
• LogD (pH = 7.4): 1.9380126
• Log P: 1.9380126
• Molar Refractivity: 20.2503 cm^3
• Polarizability: 7.912242 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colorless Gas; gas
• Melting Point: -185 °C(lit.); -185°C
• Boiling Point: -6.3 °C(lit.); -6.3 °C, 266.9 K, 20.7 °F; -6.3°C
• Flash Point: -112 °F; -80 °C; -80°C
• Auto Ignition Point: 723 °F
• Density: 0.595; 2.37 g/dm^3
• Vapor Pressure: 1939 mmHg ( 21.1 °C)
• Vapor Density: 1.93 (vs air)

Safety Information

• Storage Warning: Extremely Flammable
• European Hazard Symbols: Highly flammable (F+)
• UN Number: 1012
• German water hazard class: 3
• Hazard Class: 2.1
• Risk Statements: 12
• Safety Statements: 9-16-33
• GHS Pictograms: GHS02; GHS04
• GHS Signal Word: Danger
• Explode Limits: 9.3 %
• GHS Hazard statements: H220-H280
• GHS Precautionary statements: P210-P410 + P403
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1012 2.1

Product Information

• Purity: ≥99%; ≥99.0% (GC)
• Impurities: butadiene; isobutane; isobutylene
• Linear Formula: CH2=CHCH2CH3

DETAILS

Apollo Scientific Ltd - OR8591

Cylinder

Sigma Aldrich - 19061

Other Notes
Sales restrictions may apply
Packaging
pressure tin with 250 mL (net ~145 g)

Sigma Aldrich - 295051

Packaging
100, 400 g in Sure-Pac™
Recommended products
Brass hose adapter Z146811 or brass body mini gas regulator Z513539 is recommended.